[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine

C12H14ClN3O — CID 113276561

IUPAC[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCCn1cccn1
InChIInChI=1S/C12H14ClN3O/c13-11-3-1-4-12(10(11)9-14)17-8-7-16-6-2-5-15-16/h1-6H,7-9,14H2
InChIKeyXSOUGVLIGYVJCK-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.07
Rot. Bonds5

About [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine

[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine (PubChem CID 113276561) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
PubChem CID113276561
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCCn1cccn1
InChIInChI=1S/C12H14ClN3O/c13-11-3-1-4-12(10(11)9-14)17-8-7-16-6-2-5-15-16/h1-6H,7-9,14H2
InChIKeyXSOUGVLIGYVJCK-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319805
3-(2-pyrazol-1-ylethoxy)pyridin-2-amine
CID 61491639
[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 113276578
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
CID 114323851
[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 54962092
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 55078167
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
3-[2-(aminomethyl)-3-chlorophenoxy]-1-methylpyrazin-2-one
CID 114323844

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine (CID 113276561) is [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine is NCc1c(Cl)cccc1OCCn1cccn1.
What is the InChIKey of [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The InChIKey is XSOUGVLIGYVJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-11-3-1-4-12(10(11)9-14)17-8-7-16-6-2-5-15-16/h1-6H,7-9,14H2.
What are the key properties of [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 113276561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).